One concern about the proposed method is the computational cost.
There are two important parts when discussing about computational efficiency, the graph building and convolution calculation.
Our algorithm added extra steps to generate rotation invariant coordination, which cost more time.
Meanwhile, the new convolution layer has much parameters than the existing methods.
Assuming the convolution involves four neighbor atoms, and the atom feature and the edge feature are 128 and 32 respectively.
The new convolution has slightly over 100 thousands parameters, versus 36 thousands parameters for the convolution in [1]} .
The average time consumed for samples used in the experiments were summarized in Table REF .
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